2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid

C15H25N3O4S — CID 122064922

IUPAC2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
SMILESCCC(CC)NS(=O)(=O)c1ccc(N(C)CC(C)C(=O)O)nc1
InChIInChI=1S/C15H25N3O4S/c1-5-12(6-2)17-23(21,22)13-7-8-14(16-9-13)18(4)10-11(3)15(19)20/h7-9,11-12,17H,5-6,10H2,1-4H3,(H,19,20)
InChIKeyBOIRZNDZAVZMAM-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.71
Rot. Bonds9

About 2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid

2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid (PubChem CID 122064922) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
PubChem CID122064922
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
SMILESCCC(CC)NS(=O)(=O)c1ccc(N(C)CC(C)C(=O)O)nc1
InChIInChI=1S/C15H25N3O4S/c1-5-12(6-2)17-23(21,22)13-7-8-14(16-9-13)18(4)10-11(3)15(19)20/h7-9,11-12,17H,5-6,10H2,1-4H3,(H,19,20)
InChIKeyBOIRZNDZAVZMAM-UHFFFAOYSA-N
XLogP1.71
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122059482
2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122058332
N-methyl-6-[methyl(2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133304050
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122060999
3-[(6-methoxycarbonylpyridazin-3-yl)-methylamino]-2-methylpropanoic acid
CID 55007390
2-methyl-3-(N-methyl-4-methylsulfonylanilino)propanoic acid
CID 55007680
3-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]butanoic acid
CID 122067949
2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid
CID 120660361
5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 122106763
3-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-ethylamino]-2-methylpropanoic acid
CID 62825947
3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 122072863

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid (CID 122064922) is 2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid is CCC(CC)NS(=O)(=O)c1ccc(N(C)CC(C)C(=O)O)nc1.
What is the InChIKey of 2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is BOIRZNDZAVZMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-5-12(6-2)17-23(21,22)13-7-8-14(16-9-13)18(4)10-11(3)15(19)20/h7-9,11-12,17H,5-6,10H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 343.45 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 122064922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).